Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. 111-90-0, formula is C6H14O3, Name is Diethylene Glycol Monoethyl Ether. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3. HPLC of Formula: 111-90-0.
Gao, Haoshi;Jia, Haoyue;Dong, Jie;Yang, Xinggang;Li, Haifeng;Ouyang, Defang research published 《 Integrated in silico formulation design of self-emulsifying drug delivery systems》, the research content is summarized as follows. The drug formulation design of self-emulsifying drug delivery systems (SEDDS) often requires numerous experiments, which are time- and money-consuming. This research aimed to rationally design the SEDDS formulation by the integrated computational and exptl. approaches. 4495 SEDDS formulation datasets were collected to predict the pseudo-ternary phase diagram by the machine learning methods. Random forest (RF) showed the best prediction performance with 91.3% for accuracy, 92.0% for sensitivity and 90.7% for specificity in 5-fold cross-validation. The pseudo-ternary phase diagrams of meloxicam SEDDS were exptl. developed to validate the RF prediction model and achieved an excellent prediction accuracy (89.51%). The central composite design (CCD) was used to screen the best ratio of oil-surfactant-cosurfactant. Finally, mol. dynamic (MD) simulation was used to investigate the mol. interaction between excipients and drugs, which revealed the diffusion behavior in water and the role of cosurfactants. In conclusion, this research combined machine learning, central composite design, mol. modeling and exptl. approaches for rational SEDDS formulation design. The integrated computer methodol. can decrease traditional drug formulation design works and bring new ideas for future drug formulation design.
111-90-0, Diethylene glycol monoethyl ether appears as a colorless, slightly viscous liquid with a mild pleasant odor. Flash point near 190°F. Used to make soaps, dyes, and other chemicals.
Diethylene glycol monoethyl ether is a primary alcohol that is ethanol substituted by a 2-ethoxyethoxy group at position 2. It has a role as a protic solvent. It is a diether, a primary alcohol and a hydroxypolyether. It derives from a diethylene glycol., HPLC of Formula: 111-90-0
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem